1,3-bis(3-hydroxy-2,2-dimethylpropyl)-1,3-diazinan-2-one

C14H28N2O3 — CID 3018236

IUPAC1,3-bis(3-hydroxy-2,2-dimethylpropyl)-1,3-diazinan-2-one
SMILESCC(C)(CO)CN1CCCN(CC(C)(C)CO)C1=O
InChIInChI=1S/C14H28N2O3/c1-13(2,10-17)8-15-6-5-7-16(12(15)19)9-14(3,4)11-18/h17-18H,5-11H2,1-4H3
InChIKeyDIDLCHLFJFQPII-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.15
Rot. Bonds6

About 1,3-bis(3-hydroxy-2,2-dimethylpropyl)-1,3-diazinan-2-one

1,3-bis(3-hydroxy-2,2-dimethylpropyl)-1,3-diazinan-2-one (PubChem CID 3018236) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1,3-bis(3-hydroxy-2,2-dimethylpropyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1,3-bis(3-hydroxy-2,2-dimethylpropyl)-1,3-diazinan-2-one
PubChem CID3018236
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name1,3-bis(3-hydroxy-2,2-dimethylpropyl)-1,3-diazinan-2-one
SMILESCC(C)(CO)CN1CCCN(CC(C)(C)CO)C1=O
InChIInChI=1S/C14H28N2O3/c1-13(2,10-17)8-15-6-5-7-16(12(15)19)9-14(3,4)11-18/h17-18H,5-11H2,1-4H3
InChIKeyDIDLCHLFJFQPII-UHFFFAOYSA-N
XLogP1.15
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-hydroxy-2,2-dimethylpropyl)-1,3-diazinan-2-one?
The IUPAC name of 1,3-bis(3-hydroxy-2,2-dimethylpropyl)-1,3-diazinan-2-one (CID 3018236) is 1,3-bis(3-hydroxy-2,2-dimethylpropyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1,3-bis(3-hydroxy-2,2-dimethylpropyl)-1,3-diazinan-2-one?
The canonical SMILES for 1,3-bis(3-hydroxy-2,2-dimethylpropyl)-1,3-diazinan-2-one is CC(C)(CO)CN1CCCN(CC(C)(C)CO)C1=O.
What is the InChIKey of 1,3-bis(3-hydroxy-2,2-dimethylpropyl)-1,3-diazinan-2-one?
The InChIKey is DIDLCHLFJFQPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-13(2,10-17)8-15-6-5-7-16(12(15)19)9-14(3,4)11-18/h17-18H,5-11H2,1-4H3.
What are the key properties of 1,3-bis(3-hydroxy-2,2-dimethylpropyl)-1,3-diazinan-2-one?
1,3-bis(3-hydroxy-2,2-dimethylpropyl)-1,3-diazinan-2-one has a molecular weight of 272.39 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-hydroxy-2,2-dimethylpropyl)-1,3-diazinan-2-one is sourced from PubChem (CID 3018236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).